![N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide structure](/static/products/4991/499104-15-3.webp)
N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide (CAS 499104-15-3) is a chemical compound with molecular formula C23H16BrN3O4S and molecular weight 509.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide, N-benzo[1,3]dioxol-5-yl-2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide, N-(1,3-BENZODIOXOL-5-YL)-2-{[3-(4-BROMOPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL}ACETAMIDE, N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C23H16BrN3O4S |
|---|---|
| Molecular Weight | 509.00 g/mol |
| LogP | 4.6077 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.0045 |
| Heavy Atoms | 32 |
| Complexity | 1388.6434 |
Chemical Identifiers
| CAS Number | 499104-15-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide (CAS 499104-15-3), with molecular formula C23H16BrN3O4S and molecular weight 509.00 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
The XLogP value of 4.6077 indicates that N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide is 499104-15-3.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide is C23H16BrN3O4S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide is 509.00 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.